# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = PdPt3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 1.453693534e+03 nan nan 0.88 1.324882305e+03 nan nan 0.90 1.208826561e+03 nan nan 0.92 1.104079800e+03 nan nan 0.94 1.009383727e+03 nan nan 0.96 9.236391701e+02 1.322231847e+03 1.482046730e+03 0.98 8.458837283e+02 1.215452199e+03 1.363901843e+03 1.00 7.752738836e+02 1.118270368e+03 1.256307100e+03 1.02 7.110669181e+02 1.029700530e+03 1.158181207e+03 1.04 6.526078651e+02 9.488709698e+02 1.068569390e+03 1.06 5.993182086e+02 8.750117164e+02 9.866260661e+02 1.08 5.506853368e+02 8.074405737e+02 9.116030381e+02 1.10 5.062541671e+02 7.455505580e+02 8.428343793e+02 1.12 4.656196453e+02 6.888019239e+02 7.797285420e+02 1.14 4.284208394e+02 6.367133239e+02 7.217571524e+02 1.16 3.943359918e+02 5.888541180e+02 6.684482467e+02 1.18 3.630763104e+02 5.448393467e+02 6.193792579e+02 1.20 3.343833926e+02 5.043238451e+02 5.741709084e+02 1.22 3.080252459e+02 4.669971187e+02 5.324826749e+02 1.24 2.837929429e+02 4.325795099e+02 4.940080098e+02 1.26 2.614987924e+02 4.008190149e+02 4.584702013e+02 1.28 2.409735372e+02 3.714885405e+02 4.256197675e+02 1.30 2.220640347e+02 3.443828678e+02 3.952313686e+02 1.32 2.046315972e+02 3.193155198e+02 3.671004107e+02 1.34 1.885509264e+02 2.961180086e+02 3.410417634e+02 1.36 1.737085009e+02 2.746373536e+02 3.168872403e+02 1.38 1.600008341e+02 2.547345306e+02 2.944841221e+02 1.40 1.473340524e+02 2.362830805e+02 2.736928854e+02 1.42 1.356229187e+02 2.191675371e+02 2.543865475e+02 1.44 1.247897850e+02 2.032824485e+02 2.364493795e+02 1.46 1.147640195e+02 1.885318648e+02 2.197756242e+02 1.48 1.054806681e+02 1.748278952e+02 2.042687276e+02 1.50 9.688064311e+01 1.620901244e+02 1.898397089e+02 1.52 8.891004103e+01 1.502450015e+02 1.764071664e+02 1.54 8.151959814e+01 1.392251628e+02 1.638967750e+02 1.56 7.466414762e+01 1.289686734e+02 1.522400998e+02 1.58 6.830239558e+01 1.194184227e+02 1.413742908e+02 1.60 6.239629077e+01 1.105220240e+02 1.312416361e+02 1.62 5.691093345e+01 1.022315173e+02 1.217890221e+02 1.64 5.181447150e+01 9.450277626e+01 1.129672958e+02 1.66 4.707760320e+01 8.729502106e+01 1.047313398e+02 1.68 4.267338846e+01 8.057074586e+01 9.703954893e+01 1.70 3.857704459e+01 7.429535864e+01 8.985347359e+01 1.72 3.476576497e+01 6.843692671e+01 8.313746936e+01 1.74 3.122713917e+01 6.296595556e+01 7.685873881e+01 1.76 2.794681471e+01 5.785518764e+01 7.098694303e+01 1.78 2.491715187e+01 5.307950934e+01 6.549410337e+01 1.80 2.212048841e+01 4.861542513e+01 6.035401568e+01 1.82 1.954107000e+01 4.444131363e+01 5.554254373e+01 1.84 1.716418896e+01 4.053721994e+01 5.103739023e+01 1.86 1.497609262e+01 3.688465330e+01 4.681787351e+01 1.88 1.296389193e+01 3.347036159e+01 4.286481009e+01 1.90 1.111546437e+01 3.028297267e+01 3.916037434e+01 1.92 9.419593314e+00 2.731436911e+01 3.568799511e+01 1.94 7.865719384e+00 2.455650516e+01 3.243842959e+01 1.96 6.443848780e+00 2.199534163e+01 2.939951682e+01 1.98 5.144646486e+00 1.961856568e+01 2.656918866e+01 2.00 3.959476126e+00 1.741459952e+01 2.393451112e+01 2.02 2.880411926e+00 1.537255570e+01 2.148352800e+01 2.04 1.899908576e+00 1.348219525e+01 1.920478111e+01 2.06 1.010898373e+00 1.173381796e+01 1.708771640e+01 2.08 2.067613848e-01 1.011821455e+01 1.512240403e+01 2.10 -5.184921809e-01 8.626958865e+00 1.329948592e+01 2.12 -1.170304961e+00 7.251812915e+00 1.161014281e+01 2.14 -1.754597411e+00 5.985281068e+00 1.004606339e+01 2.16 -2.276475711e+00 4.820395128e+00 8.599415715e+00 2.18 -2.740715266e+00 3.750519040e+00 7.262723119e+00 2.20 -3.151780206e+00 2.769408984e+00 6.029066830e+00 2.22 -3.513804324e+00 1.871190758e+00 4.891917878e+00 2.24 -3.830414168e+00 1.050338590e+00 3.845108994e+00 2.26 -4.105548464e+00 3.016552552e-01 2.882830302e+00 2.28 -4.343031315e+00 -3.794917003e-01 1.999609412e+00 2.30 -4.545599221e+00 -9.976115462e-01 1.190292690e+00 2.32 -4.716507045e+00 -1.557419509e+00 4.500276211e-01 2.34 -4.858791138e+00 -2.062880479e+00 -2.256689122e-01 2.36 -4.973627156e+00 -2.517816380e+00 -8.405868409e-01 2.38 -5.064347849e+00 -2.925815652e+00 -1.399760340e+00 2.40 -5.133203952e+00 -3.290246330e+00 -1.907096170e+00 2.42 -5.181942667e+00 -3.614247980e+00 -2.365702148e+00 2.44 -5.212446500e+00 -3.900509676e+00 -2.778936887e+00 2.46 -5.226461782e+00 -4.152101346e+00 -3.149956933e+00 2.48 -5.225397446e+00 -4.371625692e+00 -3.481727932e+00 2.50 -5.210872156e+00 -4.561523076e+00 -3.776779546e+00 2.52 -5.184344594e+00 -4.724077727e+00 -4.037930456e+00 2.54 -5.147085693e+00 -4.861415511e+00 -4.267682375e+00 2.56 -5.100266507e+00 -4.975023194e+00 -4.468339430e+00 2.58 -5.044965296e+00 -5.067110529e+00 -4.642061973e+00 2.60 -4.982173937e+00 -5.139610811e+00 -4.790874693e+00 2.62 -4.912803925e+00 -5.194156126e+00 -4.916563444e+00 2.64 -4.837692294e+00 -5.232269206e+00 -5.020426937e+00 2.66 -4.757978701e+00 -5.255733351e+00 -5.105198688e+00 2.68 -4.674337588e+00 -5.265860592e+00 -5.172425104e+00 2.70 -4.587124062e+00 -5.263333782e+00 -5.223084245e+00 2.72 -4.494966486e+00 -5.249389511e+00 -5.258533966e+00 2.74 -4.399761149e+00 -5.225180058e+00 -5.280043002e+00 2.76 -4.302646182e+00 -5.191703358e+00 -5.288791066e+00 2.78 -4.204056032e+00 -5.151380166e+00 -5.285665496e+00 2.80 -4.104386800e+00 -5.104465726e+00 -5.271909560e+00 2.82 -4.004047256e+00 -5.050739130e+00 -5.248505408e+00 2.84 -3.903303056e+00 -4.990933493e+00 -5.216350106e+00 2.86 -3.803363189e+00 -4.925728936e+00 -5.176279076e+00 2.88 -3.703536669e+00 -4.855755846e+00 -5.129069896e+00 2.90 -3.604062140e+00 -4.781597964e+00 -5.075445864e+00 2.92 -3.505157512e+00 -4.703786567e+00 -5.016079354e+00 2.94 -3.407020370e+00 -4.622632754e+00 -4.951594981e+00 2.96 -3.310674846e+00 -4.537485183e+00 -4.882572581e+00 2.98 -3.215365700e+00 -4.449522779e+00 -4.809550017e+00 3.00 -3.121230672e+00 -4.359786126e+00 -4.733025748e+00 3.02 -3.028390843e+00 -4.268647412e+00 -4.653554365e+00 3.04 -2.936951921e+00 -4.176430829e+00 -4.569990141e+00 3.06 -2.847006107e+00 -4.083440776e+00 -4.483536674e+00 3.08 -2.758906332e+00 -3.989778312e+00 -4.398188906e+00 3.10 -2.672428702e+00 -3.895293955e+00 -4.311276309e+00 3.12 -2.587630120e+00 -3.800806010e+00 -4.223112677e+00 3.14 -2.504557421e+00 -3.706529659e+00 -4.133978187e+00 3.16 -2.423249070e+00 -3.612646964e+00 -4.044173721e+00 3.18 -2.343734363e+00 -3.519324509e+00 -3.953292242e+00 3.20 -2.266035776e+00 -3.426712010e+00 -3.862088234e+00 3.22 -2.190168016e+00 -3.334943845e+00 -3.770888766e+00 3.24 -2.116136376e+00 -3.244130057e+00 -3.679874431e+00 3.26 -2.043963666e+00 -3.155598600e+00 -3.589213576e+00 3.28 -1.973638587e+00 -3.068601523e+00 -3.499058159e+00 3.30 -1.905118459e+00 -2.982764544e+00 -3.409545816e+00 3.32 -1.838390647e+00 -2.898166371e+00 -3.320800828e+00 3.34 -1.773350310e+00 -2.814875910e+00 -3.232935046e+00 3.36 -1.709856483e+00 -2.732953247e+00 -3.146048760e+00 3.38 -1.647900126e+00 -2.652449775e+00 -3.060231584e+00 3.40 -1.587599471e+00 -2.573409161e+00 -2.975563082e+00 3.42 -1.529019843e+00 -2.495868386e+00 -2.892113413e+00 3.44 -1.472122446e+00 -2.419857048e+00 -2.809944281e+00 3.46 -1.416893871e+00 -2.345399727e+00 -2.729109565e+00 3.48 -1.363340567e+00 -2.272514374e+00 -2.649655232e+00 3.50 -1.311451628e+00 -2.201212825e+00 -2.571620985e+00 3.52 -1.261183544e+00 -2.131505853e+00 -2.495039927e+00 3.54 -1.212501815e+00 -2.063408723e+00 -2.419939115e+00 3.56 -1.165377201e+00 -1.996911767e+00 -2.346340921e+00 3.58 -1.119759049e+00 -1.931988921e+00 -2.274261678e+00 3.60 -1.075593198e+00 -1.868624181e+00 -2.203713213e+00 3.62 -1.032860452e+00 -1.806748492e+00 -2.134701156e+00 3.64 -9.915425756e-01 -1.746255908e+00 -2.067247365e+00 3.66 -9.516213473e-01 -1.687105428e+00 -2.001343915e+00 3.68 -9.129836881e-01 -1.629372419e+00 -1.936957794e+00 3.70 -8.754840295e-01 -1.573136804e+00 -1.874078924e+00 3.72 -8.391986087e-01 -1.518400135e+00 -1.812654383e+00 3.74 -8.041868527e-01 -1.465118768e+00 -1.752563328e+00 3.76 -7.704865951e-01 -1.413283505e+00 -1.694307097e+00 3.78 -7.381178708e-01 -1.362900916e+00 -1.637729010e+00 3.80 -7.070917766e-01 -1.313970352e+00 -1.582558334e+00 3.82 -6.774865752e-01 -1.266465688e+00 -1.528822292e+00 3.84 -6.493037187e-01 -1.220358016e+00 -1.476460451e+00 3.86 -6.222399121e-01 -1.175622334e+00 -1.425461965e+00 3.88 -5.960512208e-01 -1.132214479e+00 -1.375836931e+00 3.90 -5.705587514e-01 -1.090095494e+00 -1.327588852e+00 3.92 -5.456352821e-01 -1.049244632e+00 -1.280700479e+00 3.94 -5.211942210e-01 -1.009647802e+00 -1.235145470e+00 3.96 -4.971805250e-01 -9.712911156e-01 -1.190903302e+00 3.98 -4.735632712e-01 -9.341076051e-01 -1.147945646e+00 4.00 -4.503296130e-01 -8.979783883e-01 -1.106221765e+00 4.02 -4.274693914e-01 -8.628927472e-01 -1.065713919e+00 4.04 -4.049820234e-01 -8.289117595e-01 -1.026410230e+00 4.06 -3.828215870e-01 -7.960787244e-01 -9.882990679e-01 4.08 -3.610908906e-01 -7.644210161e-01 -9.513674922e-01 4.10 -3.399147044e-01 -7.339527253e-01 -9.154755882e-01 4.12 -3.193858848e-01 -7.046899210e-01 -8.805614634e-01 4.14 -2.995711180e-01 -6.767320800e-01 -8.466869552e-01 4.16 -2.805157384e-01 -6.499962956e-01 -8.139011418e-01 4.18 -2.622477626e-01 -6.242334113e-01 -7.822371329e-01 4.20 -2.447812610e-01 -5.992401264e-01 -7.517146098e-01 4.22 -2.281191658e-01 -5.748651105e-01 -7.223420225e-01 4.24 -2.122556055e-01 -5.509989027e-01 -6.941550943e-01 4.26 -1.971778389e-01 -5.275654604e-01 -6.672639610e-01 4.28 -1.828678534e-01 -5.045151152e-01 -6.414504349e-01 4.30 -1.693036780e-01 -4.818187292e-01 -6.164902496e-01 4.32 -1.564457112e-01 -4.594628707e-01 -5.922133922e-01 4.34 -1.454427942e-01 -4.374458546e-01 -5.684939632e-01 4.36 -1.356595772e-01 -4.157676442e-01 -5.452416350e-01 4.38 -1.263951910e-01 -3.943613122e-01 -5.223944830e-01 4.40 -1.176267398e-01 -3.732865545e-01 -4.999129947e-01 4.42 -1.093315461e-01 -3.526659855e-01 -4.777750854e-01 4.44 -1.014873114e-01 -3.325938157e-01 -4.559719739e-01 4.46 -9.407224009e-02 -3.131403075e-01 -4.345047889e-01 4.48 -8.706513475e-02 -2.943559029e-01 -4.133707119e-01 4.50 -8.044546567e-02 -2.762747194e-01 -3.924957436e-01 4.52 -7.419342044e-02 -2.589175070e-01 -3.719709336e-01 4.54 -6.828993674e-02 -2.422941428e-01 -3.519064676e-01 4.56 -6.271672149e-02 -2.264057308e-01 -3.323867068e-01 4.58 -5.745625895e-02 -2.112501717e-01 -3.134744869e-01 4.60 -5.249180998e-02 -1.976117431e-01 -2.952147799e-01 4.62 -4.780740425e-02 -1.854054170e-01 -2.776378045e-01 4.64 -4.338782693e-02 -1.737900918e-01 -2.607616663e-01 4.66 -3.921860122e-02 -1.627469098e-01 -2.445945910e-01 4.68 -3.528596758e-02 -1.522558793e-01 -2.291368108e-01 4.70 -3.157686070e-02 -1.422962679e-01 -2.143821528e-01 4.72 -2.807888474e-02 -1.328469261e-01 -2.003193729e-01 4.74 -2.476511881e-02 -1.238865506e-01 -1.869332732e-01 4.76 -2.303958574e-02 -1.153938984e-01 -1.742056329e-01 4.78 -2.142456914e-02 -1.073479568e-01 -1.621159829e-01 4.80 -1.989688249e-02 -9.972807992e-02 -1.506422467e-01 4.82 -1.845197693e-02 -9.251409322e-02 -1.397612673e-01 4.84 -1.708552676e-02 -8.568637451e-02 -1.294492392e-01 4.86 -1.579341971e-02 -7.922591334e-02 -1.196820591e-01 4.88 -1.457174748e-02 -7.311435358e-02 -1.104356084e-01 4.90 -1.341679654e-02 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-7.590698532e-04 -3.827771646e-03 -5.745152619e-03 5.28 -3.688109605e-04 -1.860467260e-03 -2.791535068e-03 5.30 -7.108680947e-16 -2.906004084e-15 -3.392721236e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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